COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.472  -0.348   0.196  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.135  -0.260   0.264  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.575  -0.380   1.328  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.866   0.043  -0.639  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.064  -1.004  -0.630  1.00  0.00           C  
HETATM    6  C   UNL     1       1.313  -0.717  -0.264  1.00  0.00           C  
HETATM    7  C   UNL     1       2.412  -1.596  -0.158  1.00  0.00           C  
HETATM    8  C   UNL     1       3.638  -1.127   0.203  1.00  0.00           C  
HETATM    9  C   UNL     1       3.827   0.221   0.474  1.00  0.00           C  
HETATM   10  C   UNL     1       2.774   1.100   0.379  1.00  0.00           C  
HETATM   11  C   UNL     1       1.507   0.640   0.009  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.008   1.509  -0.202  1.00  0.00           S  
HETATM   13  C   UNL     1      -2.331  -0.012  -0.986  1.00  0.00           C  
HETATM   14  H   UNL     1      -4.945  -0.508   1.024  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.406  -1.998  -0.876  1.00  0.00           H  
HETATM   16  H   UNL     1       2.280  -2.648  -0.366  1.00  0.00           H  
HETATM   17  H   UNL     1       4.471  -1.811   0.280  1.00  0.00           H  
HETATM   18  H   UNL     1       4.805   0.580   0.761  1.00  0.00           H  
HETATM   19  H   UNL     1       2.927   2.148   0.591  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.506  -0.820  -1.697  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.635   0.936  -1.431  1.00  0.00           H  
CONECT    1    2   14                                                 
CONECT    2    1   13    3    3                                       
CONECT    3    2    2                                                 
CONECT    4   12    5    5   13                                       
CONECT    5    4    4    6   15                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   16                                       
CONECT    8    7    9    9   17                                       
CONECT    9    8    8   10   18                                       
CONECT   10    9   11   11   19                                       
CONECT   11    6   10   10   12                                       
CONECT   12    4   11                                                 
CONECT   13    2    4   20   21                                       
CONECT   14    1                                                      
CONECT   15    5                                                      
CONECT   16    7                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   13                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
